N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide

C24H26FN3O2S — CID 135610998

IUPACN-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide
SMILESC[C@H](/N=C1/NC(=O)C(C)(c2ccc(C(=O)NC3CCCC3)cc2)S1)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O2S/c1-15(16-9-13-19(25)14-10-16)26-23-28-22(30)24(2,31-23)18-11-7-17(8-12-18)21(29)27-20-5-3-4-6-20/h7-15,20H,3-6H2,1-2H3,(H,27,29)(H,26,28,30)/t15-,24?/m0/s1
InChIKeyIMPHNPDXLUQXTE-FZADBTJQSA-N
MW439.56 g/mol
LogP4.69
Rot. Bonds5

About N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide

N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide (PubChem CID 135610998) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide
PubChem CID135610998
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC NameN-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide
SMILESC[C@H](/N=C1/NC(=O)C(C)(c2ccc(C(=O)NC3CCCC3)cc2)S1)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O2S/c1-15(16-9-13-19(25)14-10-16)26-23-28-22(30)24(2,31-23)18-11-7-17(8-12-18)21(29)27-20-5-3-4-6-20/h7-15,20H,3-6H2,1-2H3,(H,27,29)(H,26,28,30)/t15-,24?/m0/s1
InChIKeyIMPHNPDXLUQXTE-FZADBTJQSA-N
XLogP4.69
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide (CID 135610998) is N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide is C[C@H](/N=C1/NC(=O)C(C)(c2ccc(C(=O)NC3CCCC3)cc2)S1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide?
The InChIKey is IMPHNPDXLUQXTE-FZADBTJQSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-15(16-9-13-19(25)14-10-16)26-23-28-22(30)24(2,31-23)18-11-7-17(8-12-18)21(29)27-20-5-3-4-6-20/h7-15,20H,3-6H2,1-2H3,(H,27,29)(H,26,28,30)/t15-,24?/m0/s1.
What are the key properties of N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide?
N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide is sourced from PubChem (CID 135610998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).